Commit d25d6a90 authored by peastman's avatar peastman
Browse files

Fixed errors building Python wrapper for CustomManyParticleForce

parent 0ca8bdee
...@@ -44,6 +44,7 @@ ...@@ -44,6 +44,7 @@
#include "openmm/CustomGBForce.h" #include "openmm/CustomGBForce.h"
#include "openmm/CustomHbondForce.h" #include "openmm/CustomHbondForce.h"
#include "openmm/CustomIntegrator.h" #include "openmm/CustomIntegrator.h"
#include "openmm/CustomManyParticleForce.h"
#include "openmm/CustomNonbondedForce.h" #include "openmm/CustomNonbondedForce.h"
#include "openmm/Force.h" #include "openmm/Force.h"
#include "openmm/GBSAOBCForce.h" #include "openmm/GBSAOBCForce.h"
......
...@@ -191,6 +191,8 @@ UNITS = { ...@@ -191,6 +191,8 @@ UNITS = {
("*", "getWeight12") : (None, ()), ("*", "getWeight12") : (None, ()),
("*", "getWeight13") : (None, ()), ("*", "getWeight13") : (None, ()),
("*", "getWeightCross") : (None, ()), ("*", "getWeightCross") : (None, ()),
("*", "getNonbondedMethod") : (None, ()),
("*", "getGlobalParameterDefaultValue") : (None, ()),
("LocalCoordinatesSite", "getOriginWeights") : (None, ()), ("LocalCoordinatesSite", "getOriginWeights") : (None, ()),
("LocalCoordinatesSite", "getXWeights") : (None, ()), ("LocalCoordinatesSite", "getXWeights") : (None, ()),
("LocalCoordinatesSite", "getYWeights") : (None, ()), ("LocalCoordinatesSite", "getYWeights") : (None, ()),
...@@ -228,7 +230,6 @@ UNITS = { ...@@ -228,7 +230,6 @@ UNITS = {
("AmoebaInPlaneAngleForce", "getAngleParameters") : ( None, (None, None, None, None, 'unit.radian', 'unit.kilojoule_per_mole/(unit.radian*unit.radian)')), ("AmoebaInPlaneAngleForce", "getAngleParameters") : ( None, (None, None, None, None, 'unit.radian', 'unit.kilojoule_per_mole/(unit.radian*unit.radian)')),
("AmoebaMultipoleForce", "getNumMultipoles") : ( None,()), ("AmoebaMultipoleForce", "getNumMultipoles") : ( None,()),
("AmoebaMultipoleForce", "getNonbondedMethod") : ( None,()),
("AmoebaMultipoleForce", "getPolarizationType") : ( None,()), ("AmoebaMultipoleForce", "getPolarizationType") : ( None,()),
("AmoebaMultipoleForce", "getCutoffDistance") : ( 'unit.nanometer',()), ("AmoebaMultipoleForce", "getCutoffDistance") : ( 'unit.nanometer',()),
("AmoebaMultipoleForce", "getAEwald") : ( '1/unit.nanometer',()), ("AmoebaMultipoleForce", "getAEwald") : ( '1/unit.nanometer',()),
...@@ -285,7 +286,6 @@ UNITS = { ...@@ -285,7 +286,6 @@ UNITS = {
("AmoebaVdwForce", "getEpsilonCombiningRule") : ( None, ()), ("AmoebaVdwForce", "getEpsilonCombiningRule") : ( None, ()),
("AmoebaVdwForce", "getParticleExclusions") : ( None, ()), ("AmoebaVdwForce", "getParticleExclusions") : ( None, ()),
("AmoebaVdwForce", "getCutoff") : ( 'unit.nanometer', ()), ("AmoebaVdwForce", "getCutoff") : ( 'unit.nanometer', ()),
("AmoebaVdwForce", "getNonbondedMethod") : ( None, ()),
# LPW 2012-10 Modified because it no longer returns ivIndex and classIndex. # LPW 2012-10 Modified because it no longer returns ivIndex and classIndex.
# ("AmoebaVdwForce", "getParticleParameters") : ( None, (None, None, 'unit.nanometer', 'unit.kilojoule_per_mole', None)), # ("AmoebaVdwForce", "getParticleParameters") : ( None, (None, None, 'unit.nanometer', 'unit.kilojoule_per_mole', None)),
("AmoebaVdwForce", "getParticleParameters") : ( None, (None, 'unit.nanometer', 'unit.kilojoule_per_mole', None)), ("AmoebaVdwForce", "getParticleParameters") : ( None, (None, 'unit.nanometer', 'unit.kilojoule_per_mole', None)),
...@@ -310,22 +310,18 @@ UNITS = { ...@@ -310,22 +310,18 @@ UNITS = {
("CustomAngleForce", "getEnergyFunction") : (None, ()), ("CustomAngleForce", "getEnergyFunction") : (None, ()),
("CustomAngleForce", "getPerAngleParameterName") : (None, ()), ("CustomAngleForce", "getPerAngleParameterName") : (None, ()),
("CustomAngleForce", "getGlobalParameterName") : (None, ()), ("CustomAngleForce", "getGlobalParameterName") : (None, ()),
("CustomAngleForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomAngleForce", "getAngleParameters") : (None, ()), ("CustomAngleForce", "getAngleParameters") : (None, ()),
("CustomBondForce", "getNumPerBondParameters") : (None, ()), ("CustomBondForce", "getNumPerBondParameters") : (None, ()),
("CustomBondForce", "getNumGlobalParameters") : (None, ()), ("CustomBondForce", "getNumGlobalParameters") : (None, ()),
("CustomBondForce", "getEnergyFunction") : (None, ()), ("CustomBondForce", "getEnergyFunction") : (None, ()),
("CustomBondForce", "getPerBondParameterName") : (None, ()), ("CustomBondForce", "getPerBondParameterName") : (None, ()),
("CustomBondForce", "getGlobalParameterName") : (None, ()), ("CustomBondForce", "getGlobalParameterName") : (None, ()),
("CustomBondForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomBondForce", "getBondParameters") : (None, ()), ("CustomBondForce", "getBondParameters") : (None, ()),
("CustomCompoundBondForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomExternalForce", "getNumPerParticleParameters") : (None, ()), ("CustomExternalForce", "getNumPerParticleParameters") : (None, ()),
("CustomExternalForce", "getNumGlobalParameters") : (None, ()), ("CustomExternalForce", "getNumGlobalParameters") : (None, ()),
("CustomExternalForce", "getEnergyFunction") : (None, ()), ("CustomExternalForce", "getEnergyFunction") : (None, ()),
("CustomExternalForce", "getPerParticleParameterName") : (None, ()), ("CustomExternalForce", "getPerParticleParameterName") : (None, ()),
("CustomExternalForce", "getGlobalParameterName") : (None, ()), ("CustomExternalForce", "getGlobalParameterName") : (None, ()),
("CustomExternalForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomExternalForce", "getParticleParameters") : (None, ()), ("CustomExternalForce", "getParticleParameters") : (None, ()),
("CustomGBForce", "getNumExclusions") : (None, ()), ("CustomGBForce", "getNumExclusions") : (None, ()),
("CustomGBForce", "getNumPerParticleParameters") : (None, ()), ("CustomGBForce", "getNumPerParticleParameters") : (None, ()),
...@@ -333,10 +329,8 @@ UNITS = { ...@@ -333,10 +329,8 @@ UNITS = {
("CustomGBForce", "getNumFunctions") : (None, ()), ("CustomGBForce", "getNumFunctions") : (None, ()),
("CustomGBForce", "getNumComputedValues") : (None, ()), ("CustomGBForce", "getNumComputedValues") : (None, ()),
("CustomGBForce", "getNumEnergyTerms") : (None, ()), ("CustomGBForce", "getNumEnergyTerms") : (None, ()),
("CustomGBForce", "getNonbondedMethod") : (None, ()),
("CustomGBForce", "getPerParticleParameterName") : (None, ()), ("CustomGBForce", "getPerParticleParameterName") : (None, ()),
("CustomGBForce", "getGlobalParameterName") : (None, ()), ("CustomGBForce", "getGlobalParameterName") : (None, ()),
("CustomGBForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomGBForce", "getParticleParameters") : (None, ()), ("CustomGBForce", "getParticleParameters") : (None, ()),
("CustomGBForce", "getComputedValueParameters") : (None, ()), ("CustomGBForce", "getComputedValueParameters") : (None, ()),
("CustomGBForce", "getEnergyTermParameters") : (None, ()), ("CustomGBForce", "getEnergyTermParameters") : (None, ()),
...@@ -347,7 +341,6 @@ UNITS = { ...@@ -347,7 +341,6 @@ UNITS = {
("CustomHbondForce", "getEnergyFunction") : (None, ()), ("CustomHbondForce", "getEnergyFunction") : (None, ()),
("CustomHbondForce", "getExclusionParticles") : (None, ()), ("CustomHbondForce", "getExclusionParticles") : (None, ()),
("CustomHbondForce", "getFunctionParameters") : (None, ()), ("CustomHbondForce", "getFunctionParameters") : (None, ()),
("CustomHbondForce", "getNonbondedMethod") : (None, ()),
("CustomHbondForce", "getNumAcceptors") : (None, ()), ("CustomHbondForce", "getNumAcceptors") : (None, ()),
("CustomHbondForce", "getNumDonors") : (None, ()), ("CustomHbondForce", "getNumDonors") : (None, ()),
("CustomHbondForce", "getNumExclusions") : (None, ()), ("CustomHbondForce", "getNumExclusions") : (None, ()),
...@@ -355,7 +348,6 @@ UNITS = { ...@@ -355,7 +348,6 @@ UNITS = {
("CustomHbondForce", "getNumGlobalParameters") : (None, ()), ("CustomHbondForce", "getNumGlobalParameters") : (None, ()),
("CustomHbondForce", "getNumPerAcceptorParameters") : (None, ()), ("CustomHbondForce", "getNumPerAcceptorParameters") : (None, ()),
("CustomHbondForce", "getNumPerDonorParameters") : (None, ()), ("CustomHbondForce", "getNumPerDonorParameters") : (None, ()),
("CustomHbondForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomHbondForce", "getGlobalParameterName") : (None, ()), ("CustomHbondForce", "getGlobalParameterName") : (None, ()),
("CustomHbondForce", "getPerAcceptorParameterName") : (None, ()), ("CustomHbondForce", "getPerAcceptorParameterName") : (None, ()),
("CustomHbondForce", "getPerDonorParameterName") : (None, ()), ("CustomHbondForce", "getPerDonorParameterName") : (None, ()),
...@@ -363,9 +355,7 @@ UNITS = { ...@@ -363,9 +355,7 @@ UNITS = {
("CustomNonbondedForce", "getExceptionParameters") : (None, ()), ("CustomNonbondedForce", "getExceptionParameters") : (None, ()),
("CustomNonbondedForce", "getExclusionParticles") : (None, ()), ("CustomNonbondedForce", "getExclusionParticles") : (None, ()),
("CustomNonbondedForce", "getFunctionParameters") : (None, ()), ("CustomNonbondedForce", "getFunctionParameters") : (None, ()),
("CustomNonbondedForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomNonbondedForce", "getGlobalParameterName") : (None, ()), ("CustomNonbondedForce", "getGlobalParameterName") : (None, ()),
("CustomNonbondedForce", "getNonbondedMethod") : (None, ()),
("CustomNonbondedForce", "getNumExclusions") : (None, ()), ("CustomNonbondedForce", "getNumExclusions") : (None, ()),
("CustomNonbondedForce", "getNumFunctions") : (None, ()), ("CustomNonbondedForce", "getNumFunctions") : (None, ()),
("CustomNonbondedForce", "getNumPerParticleParameters") : (None, ()), ("CustomNonbondedForce", "getNumPerParticleParameters") : (None, ()),
...@@ -380,13 +370,10 @@ UNITS = { ...@@ -380,13 +370,10 @@ UNITS = {
("CustomTorsionForce", "getEnergyFunction") : (None, ()), ("CustomTorsionForce", "getEnergyFunction") : (None, ()),
("CustomTorsionForce", "getPerTorsionParameterName") : (None, ()), ("CustomTorsionForce", "getPerTorsionParameterName") : (None, ()),
("CustomTorsionForce", "getGlobalParameterName") : (None, ()), ("CustomTorsionForce", "getGlobalParameterName") : (None, ()),
("CustomTorsionForce", "getGlobalParameterDefaultValue") : (None, ()),
("CustomTorsionForce", "getTorsionParameters") : (None, ()), ("CustomTorsionForce", "getTorsionParameters") : (None, ()),
("GBSAOBCForce", "getNonbondedMethod") : (None, ()),
("GBSAOBCForce", "getParticleParameters") ("GBSAOBCForce", "getParticleParameters")
: (None, ('unit.elementary_charge', : (None, ('unit.elementary_charge',
'unit.nanometer', None)), 'unit.nanometer', None)),
("GBVIForce", "getNonbondedMethod") : (None, ()),
("GBVIForce", "getBornRadiusScalingMethod") : (None, ()), ("GBVIForce", "getBornRadiusScalingMethod") : (None, ()),
("GBVIForce", "getQuinticLowerLimitFactor") : (None, ()), ("GBVIForce", "getQuinticLowerLimitFactor") : (None, ()),
("GBVIForce", "getQuinticUpperBornRadiusLimit") : ('unit.nanometer', ()), ("GBVIForce", "getQuinticUpperBornRadiusLimit") : ('unit.nanometer', ()),
...@@ -408,7 +395,6 @@ UNITS = { ...@@ -408,7 +395,6 @@ UNITS = {
: (None, (None, None, : (None, (None, None,
'unit.elementary_charge*unit.elementary_charge', 'unit.elementary_charge*unit.elementary_charge',
'unit.nanometer', 'unit.kilojoule_per_mole')), 'unit.nanometer', 'unit.kilojoule_per_mole')),
("NonbondedForce", "getNonbondedMethod") : (None, ()),
("NonbondedForce", "getParticleParameters") ("NonbondedForce", "getParticleParameters")
: (None, ('unit.elementary_charge', : (None, ('unit.elementary_charge',
'unit.nanometer', 'unit.kilojoule_per_mole')), 'unit.nanometer', 'unit.kilojoule_per_mole')),
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment